4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoate IUPAC Name: 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoate Formula: C16H12N5O3S- MolecularWeight: 354.36318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-14(17-12-8-6-11(7-9-12)15(23)24)10-25-16-18-19-20-21(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22)(H,23,24)/p-1